SCHEMBL28233778

SCHEMBL28233778

COc1cc(-c2cc(N)n(-c3ccc(F)cc3)n2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ MAPT P10636 6/20 0.62
▸ POLB P06746 2/20 0.62
▸ SMN1; SMN2 Q16637 6/20 0.61
▸ LMNA P02545 5/20 0.61
▸ RAB9A P51151 5/20 0.61
▸ NPC1 O15118 4/20 0.61
▸ NPY5R Q15761 2/20 0.52
▸ TP53 P04637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PTGS2 P35354 3/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ TSHR P16473 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28233689 0.88 LMNA (0.57) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL28620697 0.80 POLB (0.48) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL28906662 0.76 RAB9A (1.00) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL28234718 0.76 BRAF (0.70) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL30230060 0.76 SMN1; SMN2 (0.73) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL28233679 0.75 MAPT (0.56) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL28624700 0.75 BRAF (0.54) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL17111092 0.75 RAB9A (0.71) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL28241488 0.73 SMN1; SMN2 (0.74) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL28614006 0.73 BRAF (0.54) MEN1KMT2AMAPTPOLBSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108409663-B Microtubule inhibitors, methods of preparation and uses thereof 成都威斯克生物医药有限公司 2021-09-03 — — CN disclosed
CN-108409663-A Microtubule inhibitors and its preparation method and application 四川大学 2018-08-17 — — CN disclosed
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